| SpectraBase Spectrum ID |
6MC3Wb61gFH |
| Name |
2-(4-(1H-Pyrrol-1-yl)cyclohexyl)-4-(4-chlorophenyl)pyrimidine |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20ClN3 |
| InChI |
InChI=1S/C20H20ClN3/c21-17-7-3-15(4-8-17)19-11-12-22-20(23-19)16-5-9-18(10-6-16)24-13-1-2-14-24/h1-4,7-8,11-14,16,18H,5-6,9-10H2/t16-,18- |
| InChIKey |
XBJOPFCMYREPQS-SAABIXHNSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201914490 |
| Molecular Weight |
337.854 g/mol |
| Reported Formula |
C20H20ClN3 |
| SMILES |
c1cnc(nc1-c1ccc(cc1)Cl)[C@]1(CC[C@@](CC1)([n]1cccc1)[H])[H] |
| SPLASH |
splash10-00p3-5193000000-fac8e164077cf70e1ac8 |
| Sample Comments |
dr = 91:9 |
| Source of Spectrum |
ACI-59-SM31-3ah |
| Wiley ID |
1857643 |
